Acetylcholine bromide - ≥98% , CAS No.66-23-9

CAS: 66-23-9 Cat. No.: A106023 Summenformel: C₇H₁₆BrNO₂ Molekulargewicht: 226.11 Beilstein Registry Number: 3572117 EG-Nummer: 200-622-4

GRADE & PURITY ≥98%

Synonyms

C12HG588IF | EINECS 200-622-4 | NSC 4678 | NSC4678 | NSC-4678 | Acetylcholine (bromide) | 2-acetoxy-N,N,N-trimethylethanaminium bromide | 2-acetyloxyethyl(trimethyl)azanium;bromide | A0083 | D88210 | HMS3371L05 | MFCD00011814 | Acetylcholine hydrobromide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

C12HG588IF | EINECS 200-622-4 | NSC 4678 | NSC4678 | NSC-4678 | Acetylcholine (bromide) | 2-acetoxy-N,N,N-trimethylethanaminium bromide | 2-acetyloxyethyl(trimethyl)azanium;bromide | A0083 | D88210 | HMS3371L05 | MFCD00011814 | Acetylcholine hydrobromide

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508814540
• Kanonisches Lächeln: CC(=O)OCC[N+](C)(C)C.[Br-]
• IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium;bromide
• InChIKey: ZEHGKSPCAMLJDC-UHFFFAOYSA-M
• INCHI: 1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• Isomere SMILES: CC(=O)OCC[N+](C)(C)C.[Br-]
• WGK Deutschland: 3
• RTECS: FZ9680000
• Molekulargewicht: 226.11
• Beilstein: 3572117
• Reaxy-Rn: 3572117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3572117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Ebene5 Cholines
          • Ebene6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• External Descriptors: quaternary ammonium salt - bromide salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

Discover Target: NPY2R

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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GALR3 Tchem Galanin receptor 3 (273 Activities)

Discover Target: GALR3

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

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Plasmodium falciparum (966862 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Trpc4 Short transient receptor potential channel 4 (1615 Activities)

Discover Target: Trpc4

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive,Air Sensitive,Hygroscopic
• Schmelzpunkt (°C): 142-146°C
• Molekulargewicht: 226.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 225.036 Da
• Monoisotopic Mass: 225.036 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referenzen

1. Tao Zhou, Xiao Zhao, Ziqing Li.  (2026)  Crystallization optimization enables the high-quality perovskite single crystals towards enhanced photodetection.  Materials Today Electronics,      [PMID:] [10.1016/j.mtelec.2025.100194]

2. Gan He, Liu Dongjie, Zhang Ying, Han Cuiping, Cheng Hui-Ming.  (2026)  Negative electrode degradation induced by two-stage zinc plating and its recovery in zinc batteries.  Nature Communications,      [PMID:41593098] [10.1038/s41467-026-68844-z]